scemama/RSDFT-CIPSI-QMC
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Anthony Scemama 2020-07-09 16:21:52 +02:00
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Manuscript/rsdft-cipsi-qmc.tex
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@ -321,6 +321,9 @@ implemented.\cite{GinPraFerAssSavTou-JCP-18}
\end{figure}
% Overlap with reoptimized
% Plot Ndets as a function of mu
\section{Influence of the range-separation parameter on the fixed-node
error}
@ -440,6 +443,8 @@ for as a reference for post-Hartree-Fock methods or QMC calculations,
there is a residual size-consistence error originating from the
truncation of the determinant space.
% Invariance with m_s
QMC calculations can be made size-consistent by extrapolating the
FN-DMC energy to estimate the energy obtained with the FCI as a trial
wave function.\cite{Scemama_2018,Scemama_2018b} Alternatively, the